7-(1,3-benzodioxol-2-yl)-6-nitro-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-6-nitro-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-2-isopropyl-6-nitro-2-(3,4,5-trimethoxyphenyl)heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-6-nitro-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-6-nitro-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-2-isopropyl-6-nitro-2-(3,4,5-trimethoxyphenyl)enanthonitrile Formula: C26H32N2O7 MolecularWeight: 484.54148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(CC1OC2=CC=CC=C2O1)[N+](=O)[O-])(C#N)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)C(CCCC(CC1OC2=CC=CC=C2O1)[N+](=O)[O-])(C#N)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C26H32N2O7/c1-17(2)26(16-27,18-13-22(31-3)25(33-5)23(14-18)32-4)12-8-9-19(28(29)30)15-24-34-20-10-6-7-11-21(20)35-24/h6-7,10-11,13-14,17,19,24H,8-9,12,15H2,1-5H3